Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORB | Q92753 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4707264 | 0.91 | RORB (0.49) | RORBTDO2IDO1ALDH1A1 | |
| SCHEMBL4707224 | 0.91 | RORB (0.44) | RORBMAPK1TDO2IDO1CYP19A1 | |
| SCHEMBL28434941 | 0.91 | RORB (0.44) | RORBMAPK1IDO1ALDH1A1TSHR | |
| Tradipitant SCHEMBL2898629 | 0.88 | RORB (0.42) | RORBMAPK1 | |
| Tradipitant SCHEMBL29810017 | 0.88 | RORB (0.42) | RORBMAPK1 | |
| SCHEMBL4708282 | 0.85 | RORB (0.40) | RORBMAPK1 | |
| SCHEMBL4708480 | 0.85 | RORB (0.42) | RORBMAPK1 | |
| SCHEMBL4707594 | 0.85 | RORB (0.43) | RORB | |
| SCHEMBL25479760 | 0.85 | RORB (0.39) | RORBMAPK1 | |
| SCHEMBL4708736 | 0.84 | RORB (0.49) | RORBMAPK1TDO2IDO1CYP19A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |